RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153916
RefMet name	Dihomo-gamma-linolenic acid
Alternative name	FA 20:3(8Z,11Z,14Z)
Systematic name	8Z,11Z,14Z-eicosatrienoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:3	View other entries in RefMet with this sum composition
Exact mass	306.255880 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C20H34O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	588 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-, 10-9-,13-12-
InChIKey	HOBAELRKJCKHQD-QNEBEIHSSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Unsaturated FA
Distribution of Dihomo-gamma-linolenic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Dihomo-gamma-linolenic acid
External Links
Pubchem CID	5280581
LIPID MAPS	LMFA01030158
ChEBI ID	53486
KEGG ID	C03242
HMDB ID	HMDB0002925
Chemspider ID	4444199
Spectral data for Dihomo-gamma-linolenic acid standards
NP-MRD ID(NMR)	View NMR spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Dihomo-gamma-linolenic acid

Rxn ID	KEGG Reaction	Enzyme
R08182	8,11,14-Eicosatrienoyl-CoA + H2O <=> CoA + Dihomo-gamma-linolenate	8,11,14-Eicosatrienoyl-CoA + H2O <=> CoA + Dihomo-gamma-linolenate

Table of KEGG human pathways containing Dihomo-gamma-linolenic acid

Pathway ID	Human Pathway	# of reactions
hsa01040	Biosynthesis of unsaturated fatty acids	1